(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

C19H28N2O2 — CID 164629367

IUPAC(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c22-18(20-15-19(23)10-5-2-6-11-19)17-9-12-21(14-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17,23H,2,5-6,9-15H2,(H,20,22)/t17-/m0/s1
InChIKeyJHXCYNNFDRQKRT-KRWDZBQOSA-N
MW316.44 g/mol
LogP2.32
Rot. Bonds5

About (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 164629367) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
PubChem CID164629367
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c22-18(20-15-19(23)10-5-2-6-11-19)17-9-12-21(14-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17,23H,2,5-6,9-15H2,(H,20,22)/t17-/m0/s1
InChIKeyJHXCYNNFDRQKRT-KRWDZBQOSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nebracetam
CID 65926
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-butyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
CID 4283575
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
(3S,4S)-3-N,4-N-dibenzylpyrrolidine-3,4-dicarboxamide
CID 70685980
(3S,4S)-3-N-benzyl-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 70685981
1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4057718
1-benzyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 4811381
1-benzyl-N-(2-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24817929
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817290

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (CID 164629367) is (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JHXCYNNFDRQKRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-18(20-15-19(23)10-5-2-6-11-19)17-9-12-21(14-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,17,23H,2,5-6,9-15H2,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164629367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).